4-(4-Chlorophenyl)-1-(4-Fluorophenyl)-1H-Pyrazole-3-Acetic Acid

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Properties Simple | Detailed

Formula C17H12ClFN2O2
IUPAC Name 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-1-ium-2-id-3-yl]acetic acid
Molecular Mass 330.741 g·mol−1
Heat of Formation -217.4 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 364.39 Å 3
Surface Area 330.76 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazole-3-acetic acid, 4-(4-chlorophenyl)-1-(4-fluorophenyl)-
  • 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)-3-pyrazolyl]acetic acid
  • 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetic acid
  • 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanoic acid
  • 4-(p-chlorophenyl)-1-(p-fluorophenyl)pyrazole-3-acetic acid
  • d05493
  • pirazolac
  • pirazolac (usan)
  • zk 76 604
  • zk-76604
CAS Number(s)
  • 71002-09-0
InChIKey YAMFWQIVVMITPG-UHFFFAOYSA-N
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